cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone

C13H24N2O — CID 2373234

IUPACcyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-8-5-9-15(11-10-14)13(16)12-6-3-2-4-7-12/h12H,2-11H2,1H3
InChIKeyYKYRUAQCPQGZBD-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds1

About cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone

cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 2373234) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID2373234
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Namecyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCN1CCCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C13H24N2O/c1-14-8-5-9-15(11-10-14)13(16)12-6-3-2-4-7-12/h12H,2-11H2,1H3
InChIKeyYKYRUAQCPQGZBD-UHFFFAOYSA-N
XLogP1.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone (CID 2373234) is cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone is CN1CCCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is YKYRUAQCPQGZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-8-5-9-15(11-10-14)13(16)12-6-3-2-4-7-12/h12H,2-11H2,1H3.
What are the key properties of cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone?
cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 224.35 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 2373234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).